UCSF

ZINC19636724

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.15 5.84 -32.85 1 2 1 8 197.346 1
Hi High (pH 8-9.5) 2.15 3.36 -0.99 0 2 0 6 196.338 1
Mid Mid (pH 6-8) 2.15 5.65 -32.03 1 2 1 8 197.346 1

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )